Crystallography Open Database

Information card for entry 4507526

Preview

Coordinates	4507526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H30 In N4 O3 S2
Calculated formula	C27.501 H24.848 In N4 O3.001 S2
Title of publication	In(SAr)3As a Building Block for 3D and Helical Coordination Polymers
Authors of publication	Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	3
Pages of publication	1252
a	10.922 ± 0.002 Å
b	13.515 ± 0.003 Å
c	22.18 ± 0.003 Å
α	90°
β	119.18 ± 0.03°
γ	90°
Cell volume	2858.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507526.cif
85551	2013-05-07	cif/ Adding structures of 4507526 via cif-deposit CGI script.	4507526.cif